5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid

C16H24N2O2 — CID 62229962

IUPAC5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CCCN1Cc2ccccc2C1)C(=O)O
InChIInChI=1S/C16H24N2O2/c1-3-17-16(2,15(19)20)9-6-10-18-11-13-7-4-5-8-14(13)12-18/h4-5,7-8,17H,3,6,9-12H2,1-2H3,(H,19,20)
InChIKeySSPGXVPILLEALW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.24
Rot. Bonds7

About 5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid

5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid (PubChem CID 62229962) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid
PubChem CID62229962
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CCCN1Cc2ccccc2C1)C(=O)O
InChIInChI=1S/C16H24N2O2/c1-3-17-16(2,15(19)20)9-6-10-18-11-13-7-4-5-8-14(13)12-18/h4-5,7-8,17H,3,6,9-12H2,1-2H3,(H,19,20)
InChIKeySSPGXVPILLEALW-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butanoic acid
CID 62230995
4-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64704930
2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
CID 114539447
2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide
CID 62232161
2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63635964
5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 65281659
6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789156
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylhexanoic acid
CID 106713887
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79945721
5-(1,3-dihydroisoindol-2-yl)pentanoic acid
CID 2063858
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylhexanoic acid
CID 63165554

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid?
The IUPAC name of 5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid (CID 62229962) is 5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid?
The canonical SMILES for 5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid is CCNC(C)(CCCN1Cc2ccccc2C1)C(=O)O.
What is the InChIKey of 5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid?
The InChIKey is SSPGXVPILLEALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-17-16(2,15(19)20)9-6-10-18-11-13-7-4-5-8-14(13)12-18/h4-5,7-8,17H,3,6,9-12H2,1-2H3,(H,19,20).
What are the key properties of 5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid?
5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 62229962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).